[1-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine

C9H15NO3 — CID 116986908

IUPAC[1-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine
SMILESNCC1(C23OCC(CO2)CO3)CC1
InChIInChI=1S/C9H15NO3/c10-6-8(1-2-8)9-11-3-7(4-12-9)5-13-9/h7H,1-6,10H2
InChIKeyVETWPGSRCXNWKC-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.07
Rot. Bonds2

About [1-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine

[1-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine (PubChem CID 116986908) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is [1-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine
PubChem CID116986908
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name[1-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine
SMILESNCC1(C23OCC(CO2)CO3)CC1
InChIInChI=1S/C9H15NO3/c10-6-8(1-2-8)9-11-3-7(4-12-9)5-13-9/h7H,1-6,10H2
InChIKeyVETWPGSRCXNWKC-UHFFFAOYSA-N
XLogP0.07
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-2-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)propan-1-amine
CID 116986815
3-(2,6,7-Trioxabicyclo[2.2.2]octan-1-yl)propan-1-amine
CID 116986817
2,2-Dimethyl-3-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)propan-1-amine
CID 116986823
N-methyl-1-[1-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine
CID 116986909
2-(2,6,7-Trioxabicyclo[2.2.2]octan-1-yl)butan-1-amine
CID 116986925
3-Methyl-2-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)butan-1-amine
CID 116986927
3-(4-Methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)butan-1-amine
CID 116986959
2-Methyl-3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)propan-1-amine
CID 116986960
[1-(4-Methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine
CID 116987041
N-methyl-1-[1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine
CID 116987042
2-(4-Methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)butan-1-amine
CID 116987058
3-Methyl-2-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)butan-1-amine
CID 116987060

Frequently Asked Questions

What is the IUPAC name of [1-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine?
The IUPAC name of [1-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine (CID 116986908) is [1-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine?
The canonical SMILES for [1-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine is NCC1(C23OCC(CO2)CO3)CC1.
What is the InChIKey of [1-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine?
The InChIKey is VETWPGSRCXNWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c10-6-8(1-2-8)9-11-3-7(4-12-9)5-13-9/h7H,1-6,10H2.
What are the key properties of [1-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine?
[1-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine has a molecular weight of 185.22 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)cyclopropyl]methanamine is sourced from PubChem (CID 116986908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).